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gmolpro_graphical_user_interface [2025/04/02 13:34] – simplify dollgmolpro_graphical_user_interface [2025/08/28 14:13] (current) – version 2.9.0 doll
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-gmolpro (present release: version 2.7.0) should be used together with Molpro2025.1. On Mac, the package you download is already bundled with this Molpro version. On Linux, gmolpro does not come bundled with Molpro, and you need a separate installation of Molpro. Note that on macOS, gmolpro starts without visiting shell initialisation scripts if you start it by clicking on the icon in the Mac Dock.+gmolpro (present release: version 2.8.0) should be used together with Molpro2025.2. On Mac, the package you download is already bundled with this Molpro version. On Linux, gmolpro does not come bundled with Molpro, and you need a separate installation of Molpro. Note that on macOS, gmolpro starts without visiting shell initialisation scripts if you start it by clicking on the icon in the Mac Dock.
  
 It requires It requires
-  - a macOS (12.X i.e. Monterey or later) or Linux (Ubuntu 18.04 or later, Debian 11 or later, Fedora  40 or later, or openSUSE 15.6 or later) workstation; other macOS or Linux versions **//may (and often will)//** work+  - a macOS (12.X i.e. Monterey or later) or Linux (Ubuntu 18.04 or later, Debian 11 or later, Fedora  41 or later, or openSUSE 15.6 or later) workstation; other macOS or Linux versions **//may (and often will)//** work
   - a licence token which is valid for molpro and gmolpro. It may be installed in '' $HOME/.molpro/token'' . Alternatively (useful for group licences) on Linux, it may be installed in the place as described in the [[installation_guide]], and on Mac in ''/Applications/gmolpro.app/Contents/Resources/molpro/lib/.token'' (the gmolpro app should always be installed in the default place ''/Applications/gmolpro.app'' )   - a licence token which is valid for molpro and gmolpro. It may be installed in '' $HOME/.molpro/token'' . Alternatively (useful for group licences) on Linux, it may be installed in the place as described in the [[installation_guide]], and on Mac in ''/Applications/gmolpro.app/Contents/Resources/molpro/lib/.token'' (the gmolpro app should always be installed in the default place ''/Applications/gmolpro.app'' )
  
  
 ^ gmolpro release versus ... ^ ... recommended Molpro version ^ remarks ^ ^ gmolpro release versus ... ^ ... recommended Molpro version ^ remarks ^
 +| 2.9.0  |2025.3 (Linux: needs separate installation; Mac: bundled with 2025.3.0) | 
 +| 2.8.0  |2025.2 (Linux: needs separate installation; Mac: bundled with 2025.2.0) | Molpro versions from 2025.2 on need gmolpro version at least 2.8.0 because the basis set library has been extended|
 | 2.7.0  |2025.1 (Linux: needs separate installation; Mac: bundled with 2025.1.0) | Molpro versions beyond 2025.1 need gmolpro version at least 2.7.0 because the xml file will be split in xml and xml-sidecar| | 2.7.0  |2025.1 (Linux: needs separate installation; Mac: bundled with 2025.1.0) | Molpro versions beyond 2025.1 need gmolpro version at least 2.7.0 because the xml file will be split in xml and xml-sidecar|
 | 2.6.0  |bundled with 2024.3.0 | | 2.6.0  |bundled with 2024.3.0 |
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-Hint: older versions (2.2.0 and before) may need to set the variable LIBGL_ALWAYS_SOFTWARE to TRUE (e.g. in bash ''export LIBGL_ALWAYS_SOFTWARE=1'') on some platforms such as openSUSE15.5, before starting gmolpro (bug in the Mesa library)+Hint: very old versions (2.2.0 and before) may need to set the variable LIBGL_ALWAYS_SOFTWARE to TRUE (e.g. in bash ''export LIBGL_ALWAYS_SOFTWARE=1'') on some platforms such as openSUSE15.5, before starting gmolpro (bug in the Mesa library)
  
-On fedora41, ''dnf install gdk-pixbuf2-xlib gdk-pixbuf2-modules-extra'' may be necessary.+On fedora, ''dnf install gdk-pixbuf2-xlib gdk-pixbuf2-modules-extra'' may be necessary.
  
 In general, packages may have to be installed if they were not shipped with the operating system, e.g. freeglut. In general, packages may have to be installed if they were not shipped with the operating system, e.g. freeglut.
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 {{:retina2.png?300|}} {{:retina2.png?300|}}
  
-Please use the switch Display/Retina screen+-> Please use the switch Display/Retina screen.
  
 This switches between factor 1 and 2. If you need a more general factor, please edit the line in $HOME/.pqsmol/gmolpro.conf This switches between factor 1 and 2. If you need a more general factor, please edit the line in $HOME/.pqsmol/gmolpro.conf